[3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone

C20H24ClN5O3 — CID 168912162

IUPAC[3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
SMILESCOc1nccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)c1Cl
InChIInChI=1S/C20H24ClN5O3/c1-28-19-17(21)15(2-6-22-19)18-14-5-11-29-12-16(14)26(23-18)20(27)25-10-9-24-7-3-13(25)4-8-24/h2,6,13H,3-5,7-12H2,1H3
InChIKeyASYBPWMQXFRRKX-UHFFFAOYSA-N
MW417.90 g/mol
LogP2.43
Rot. Bonds2

About [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone

[3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone (PubChem CID 168912162) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
PubChem CID168912162
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC Name[3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
SMILESCOc1nccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)c1Cl
InChIInChI=1S/C20H24ClN5O3/c1-28-19-17(21)15(2-6-22-19)18-14-5-11-29-12-16(14)26(23-18)20(27)25-10-9-24-7-3-13(25)4-8-24/h2,6,13H,3-5,7-12H2,1H3
InChIKeyASYBPWMQXFRRKX-UHFFFAOYSA-N
XLogP2.43
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The IUPAC name of [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone (CID 168912162) is [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone.
What is the SMILES notation for [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The canonical SMILES for [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone is COc1nccc(-c2nn(C(=O)N3CCN4CCC3CC4)c3c2CCOC3)c1Cl.
What is the InChIKey of [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The InChIKey is ASYBPWMQXFRRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3/c1-28-19-17(21)15(2-6-22-19)18-14-5-11-29-12-16(14)26(23-18)20(27)25-10-9-24-7-3-13(25)4-8-24/h2,6,13H,3-5,7-12H2,1H3.
What are the key properties of [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
[3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone has a molecular weight of 417.90 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-2-methoxy-4-pyridinyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone is sourced from PubChem (CID 168912162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).